1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile

C11H13N3 — CID 164658652

IUPAC1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CC2CC3CC3C2)c1
InChIInChI=1S/C11H13N3/c12-4-9-5-13-14(7-9)6-8-1-10-3-11(10)2-8/h5,7-8,10-11H,1-3,6H2
InChIKeyITLKJVZKYRGQMU-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.80
Rot. Bonds2

About 1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile

1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile (PubChem CID 164658652) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile
PubChem CID164658652
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CC2CC3CC3C2)c1
InChIInChI=1S/C11H13N3/c12-4-9-5-13-14(7-9)6-8-1-10-3-11(10)2-8/h5,7-8,10-11H,1-3,6H2
InChIKeyITLKJVZKYRGQMU-UHFFFAOYSA-N
XLogP1.80
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2S)-oxiran-2-yl]methyl]pyrazole-4-carbonitrile
CID 126982877
1-(2-aminoethyl)pyrazole-4-carbonitrile;hydrochloride
CID 146048593
3-bromo-5-[1-(cyclopropylmethyl)pyrazol-4-yl]benzonitrile
CID 172990860
2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethynyl-trimethylsilane
CID 154791919
3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid
CID 84658831
1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-carbonitrile
CID 130573439
3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile
CID 172990845
3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-methylbenzonitrile
CID 172989938
3-bromo-5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzonitrile
CID 172990879
3-[[[(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-hydroxycyclopentyl]amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 167961119
1-[[5-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]pyrazole-4-carbonitrile
CID 155577047
4-ethynyl-1-(oxan-3-ylmethyl)pyrazole
CID 122240733

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile (CID 164658652) is 1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile is N#Cc1cnn(CC2CC3CC3C2)c1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile?
The InChIKey is ITLKJVZKYRGQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-4-9-5-13-14(7-9)6-8-1-10-3-11(10)2-8/h5,7-8,10-11H,1-3,6H2.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile?
1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanylmethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 164658652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).